N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C24H23N3O3S3 MolecularWeight: 497.65272

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O3S3/c1-31-19-8-4-5-9-21(19)33(29,30)27-14-12-17(13-15-27)23(28)26-24-25-22-18-7-3-2-6-16(18)10-11-20(22)32-24/h2-11,17H,12-15H2,1H3,(H,25,26,28)